Basic information
- CAS
81795-61-1- Standard SMILES
CC(C)(C)N1COCOC2CCCC21- InChIKey
HVPFQFXOQLBESC-UHFFFAOYSA-N- Molecular formula
- C11H21NO2
- Average molar mass
- 199.29 g/mol
- Monoisotopic mass
- 199.15722891
Names & identifiers
- Preferred name
- 5-tert-Butylhexahydro-4H-cyclopenta[f][1,3,5]dioxazepine
- IUPAC
- 5-tert-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepine
Names & synonyms
81795-61-1NSC 3618705-tert-Butylhexahydro-4H-cyclopenta[f][1,3,5]dioxazepine5-tert-Butylhexahydro-4H-cyclopenta(f)(1,3,5)dioxazepineNSC3618705-tert-butyl-4,5a,6,7,8,8a-hexahydrocyclopenta[f][1,3,5]dioxazepineDS-015556
Database identifiers
- CAS
81795-61-1- PubChem CID
- 494282
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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